(4R,9aR)-6-(2-Methoxy-ethoxy)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester

HCID 69556480
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCOc1ccc2c(n1)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1C
InChIKey
LNBHHTLVMMEYPS-UKRRQHHQSA-N
Molecular formula
C19H29N3O4
Average molar mass
363.5 g/mol

Names & identifiers

Preferred name
(4R,9aR)-6-(2-Methoxy-ethoxy)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (9R,13R)-4-(2-methoxyethoxy)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-11-carboxylate

Names & synonyms

SCHEMBL5759660LNBHHTLVMMEYPS-UKRRQHHQSA-N(4R,9aR)-6-(2-Methoxy-ethoxy)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
69556480

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
64.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
New reaction record

Linked notes

Loading…